3-(cyclohexylmethoxy)-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide

C19H23N5O4S — CID 11270027

IUPAC3-(cyclohexylmethoxy)-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESCOc1cc2sc(C(=O)Nc3nn[nH]n3)c(OCC3CCCCC3)c2cc1OC
InChIInChI=1S/C19H23N5O4S/c1-26-13-8-12-15(9-14(13)27-2)29-17(18(25)20-19-21-23-24-22-19)16(12)28-10-11-6-4-3-5-7-11/h8-9,11H,3-7,10H2,1-2H3,(H2,20,21,22,23,24,25)
InChIKeyKAXDMNGOQXJRAC-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.64
Rot. Bonds7

About 3-(cyclohexylmethoxy)-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide

3-(cyclohexylmethoxy)-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide (PubChem CID 11270027) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is 3-(cyclohexylmethoxy)-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-(cyclohexylmethoxy)-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
PubChem CID11270027
Molecular FormulaC19H23N5O4S
Molecular Weight417.49 g/mol
Exact Mass417.15
IUPAC Name3-(cyclohexylmethoxy)-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
SMILESCOc1cc2sc(C(=O)Nc3nn[nH]n3)c(OCC3CCCCC3)c2cc1OC
InChIInChI=1S/C19H23N5O4S/c1-26-13-8-12-15(9-14(13)27-2)29-17(18(25)20-19-21-23-24-22-19)16(12)28-10-11-6-4-3-5-7-11/h8-9,11H,3-7,10H2,1-2H3,(H2,20,21,22,23,24,25)
InChIKeyKAXDMNGOQXJRAC-UHFFFAOYSA-N
XLogP3.64
TPSA111.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-(cyclohexylmethoxy)-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide with MolForge

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Related Compounds

CI-959
CID 13961743
CI-959 free acid
CID 159289
6-methoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 13961670
5,6-dimethoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 14673592
5,6-dimethoxy-3-phenylmethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 14673598
5,6-dimethoxy-3-phenoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 14673599
5-methoxy-3-phenoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 14673576
3,5-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 13961672
3-ethoxy-5-methoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 13961673
7-methoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 13961674
3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 13961679
5-methoxy-3-[(2-methylpropan-2-yl)oxy]-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide
CID 13961681

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethoxy)-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-(cyclohexylmethoxy)-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide (CID 11270027) is 3-(cyclohexylmethoxy)-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-(cyclohexylmethoxy)-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-(cyclohexylmethoxy)-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide is COc1cc2sc(C(=O)Nc3nn[nH]n3)c(OCC3CCCCC3)c2cc1OC.
What is the InChIKey of 3-(cyclohexylmethoxy)-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
The InChIKey is KAXDMNGOQXJRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S/c1-26-13-8-12-15(9-14(13)27-2)29-17(18(25)20-19-21-23-24-22-19)16(12)28-10-11-6-4-3-5-7-11/h8-9,11H,3-7,10H2,1-2H3,(H2,20,21,22,23,24,25).
What are the key properties of 3-(cyclohexylmethoxy)-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide?
3-(cyclohexylmethoxy)-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethoxy)-5,6-dimethoxy-N-(2H-tetrazol-5-yl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 11270027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).